4-[(dimethylamino)methyl]-2,6-difluorophenol

C9H11F2NO — CID 82977010

IUPAC4-[(dimethylamino)methyl]-2,6-difluorophenol
SMILESCN(C)Cc1cc(F)c(O)c(F)c1
InChIInChI=1S/C9H11F2NO/c1-12(2)5-6-3-7(10)9(13)8(11)4-6/h3-4,13H,5H2,1-2H3
InChIKeyZYVKWTPKNAYOJG-UHFFFAOYSA-N
MW187.19 g/mol
LogP1.73
Rot. Bonds2

About 4-[(dimethylamino)methyl]-2,6-difluorophenol

4-[(dimethylamino)methyl]-2,6-difluorophenol (PubChem CID 82977010) has the molecular formula C9H11F2NO and a molecular weight of 187.19 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-2,6-difluorophenol.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-2,6-difluorophenol
PubChem CID82977010
Molecular FormulaC9H11F2NO
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name4-[(dimethylamino)methyl]-2,6-difluorophenol
SMILESCN(C)Cc1cc(F)c(O)c(F)c1
InChIInChI=1S/C9H11F2NO/c1-12(2)5-6-3-7(10)9(13)8(11)4-6/h3-4,13H,5H2,1-2H3
InChIKeyZYVKWTPKNAYOJG-UHFFFAOYSA-N
XLogP1.73
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-aminopropyl)-4-[(dimethylamino)methyl]-6-fluorophenol
CID 117325746
2-(2-amino-2-methylpropyl)-4-[(dimethylamino)methyl]-6-fluorophenol
CID 117353759
1-[4-[(dimethylamino)methyl]-2,6-difluorophenyl]ethanone
CID 122479981
2,4,6-tris[(dimethylamino)methyl]phenol
CID 7026
2-[5-[(dimethylamino)methyl]-3-fluoro-2-hydroxyphenyl]-2-hydroxyacetic acid
CID 117359300
2,6-difluoro-4-[[methyl(3-methylbutan-2-yl)amino]methyl]phenol
CID 82976577
ethyl 2-[5-[(dimethylamino)methyl]-3-fluoro-2-hydroxyphenyl]-2-oxoacetate
CID 117426168
2-(5-amino-1H-pyrazol-4-yl)-4-[(dimethylamino)methyl]-6-fluorophenol
CID 117378752
4-[(dimethylamino)methyl]-2,6-dimethoxyphenol
CID 10066574
[3-[(dimethylamino)methyl]-5-(hydroxymethyl)phenyl]methanol
CID 67196676
3-cyclopropyl-3-[5-[(dimethylamino)methyl]-3-fluoro-2-hydroxyphenyl]propanoic acid
CID 117451453
4-[[butyl(ethyl)amino]methyl]-2,6-difluorophenol
CID 82975285

Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]-2,6-difluorophenol?
The IUPAC name of 4-[(dimethylamino)methyl]-2,6-difluorophenol (CID 82977010) is 4-[(dimethylamino)methyl]-2,6-difluorophenol.
What is the SMILES notation for 4-[(dimethylamino)methyl]-2,6-difluorophenol?
The canonical SMILES for 4-[(dimethylamino)methyl]-2,6-difluorophenol is CN(C)Cc1cc(F)c(O)c(F)c1.
What is the InChIKey of 4-[(dimethylamino)methyl]-2,6-difluorophenol?
The InChIKey is ZYVKWTPKNAYOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO/c1-12(2)5-6-3-7(10)9(13)8(11)4-6/h3-4,13H,5H2,1-2H3.
What are the key properties of 4-[(dimethylamino)methyl]-2,6-difluorophenol?
4-[(dimethylamino)methyl]-2,6-difluorophenol has a molecular weight of 187.19 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-2,6-difluorophenol is sourced from PubChem (CID 82977010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).